(3-propan-2-ylphenyl) 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: (3-propan-2-ylphenyl) 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: (3-isopropylphenyl) 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid m-cumenyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-12(2)13-5-4-6-14(9-13)26-18(21)11-19-16-8-7-15(27(3,24)25)10-17(16)20(22)23/h4-10,12,19H,11H2,1-3H3